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acetaminophen O-beta-D-glucosiduronic acid

PropertiesImage
MNX_IDMNXM490961 Image of MNXM490961
referencechebi:32636
formulaC14H17NO8
global charge0
mol weight327.289
InChIKeyIPROLSVTVHAQLE-BYNIDDHOSA-N
InChIInChI=1S/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1
SMILESCC(=O)NC1=CC=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=C1
MNX internals
InChI (mnx)InChI=1/C14H17NO8/c1-6(16)15-7-2-4-8(5-3-7)22-14-11(19)9(17)10(18)12(23-14)13(20)21/h2-5,9-12,14,17-19H,1H3,(H,15,16)(H,20,21)/t9-,10-,11+,12-,14+/m0/s1 Image of MNXM490961
SMILES (mnx)[CH3:1][C:6](=[N:15][C:7]1=[CH:3][CH:5]=[C:8]([O:22][C@H:14]2[C@H:11]([OH:19])[C@@H:9]([OH:17])[C@H:10]([OH:18])[C@@H:12]([C:13](=[O:20])[OH:21])[O:23]2)[CH:4]=[CH:2]1)[OH:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9753584
reactomeM:R-ALL-9753584
CHEBI:32636
chebi:32636
IPROLSVTVHAQLE-BYNIDDHOSA-N 		acetaminophen O-beta-D-glucosiduronic acid
4-acetamidophenyl beta-D-glucopyranosiduronic acid
Acetaminophen glucuronide
Paracetamol glucuronide

bigg.metabolite:acmpglu
biggM:acmpglu
IPROLSVTVHAQLE-BYNIDDHOSA-N 		Acetaminophen glucuronide

vmhM:acmpglu
vmhmetabolite:acmpglu
IPROLSVTVHAQLE-BYNIDDHOSA-M 		Acetaminophen glucuronide
(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
hmdb:HMDB0010316
IPROLSVTVHAQLE-BYNIDDHOSA-N 		Acetaminophen glucuronide
(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4'-(Glucuronosyloxy)-acetanilide
4-(Acetylamino)phenyl beta-D-glucopyranosiduronic acid
4-(Acetylamino)phenyl beta-delta-glucopyranosiduronic acid
4-Acetamidophenol glucuronide
4-Acetamidophenyl b-D-glucopyranosiduronic acid
4-Acetamidophenyl b-delta-glucopyranosiduronic acid
4-Acetamidophenyl beta-D-glucopyranosiduronic acid
4-Acetamidophenyl beta-delta-glucopyranosiduronic acid
4-Glucuronosidoacetanilide
4-Hydroxyacetanilide glucuronide
Acetanilide glucuronide
Deethylphenacetin glucuronide
N-Acetyl-4-aminophenol glucuronide
N-Acetyl-4-glucuronosidoaniline
N-Acetyl-p-aminophenyl glucuronide
PCM-g
Paracetamol O-glucuronide
Paracetamol beta-glucuronide
Paracetamol glucuronide
acetaminophen glucuronide
p-Acetamidophenyl D-glucosiduronic acid
p-Acetamidophenyl beta-D-glucuronide
p-Acetamidophenyl glucosiduronic acid
p-Acetamidophenyl glucuronide
p-Acetamidophenylglucuronide

reactome:R-ALL-158604
reactomeM:R-ALL-158604
CHEBI:132962
chebi:132962
IPROLSVTVHAQLE-BYNIDDHOSA-M 		acetaminophen O-beta-D-glucosiduronate
4-acetamidophenyl beta-D-glucopyranosiduronate
4-acetamidophenyl beta-D-glucosiduronate
4-acetamidophenyl beta-D-glucuronide(1-)
p-acetamidophenyl beta-D-glucopyranosiduronate
p-acetamidophenyl beta-D-glucosiduronate
p-acetamidophenyl beta-D-glucuronide(1-)

hmdb:HMDB10316
biggM:M_acmpglu
vmhM:M_acmpglu 		secondary/obsolete/fantasy identifier